SCHEMBL4548413

SCHEMBL4548413

COC(=O)CCc1cnn(-c2ccc(N)cn2)c1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 3/20 0.44
EGLN1 Q9GZT9 10/20 0.39
CYP11B1 P15538 6/20 0.39
CYP11B2 P19099 6/20 0.39
CYP2C9 P11712 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4548414 0.81 CYP2C19 (0.43) HCAR2CYP2C9
SCHEMBL4556143 0.76 HCAR2 (0.36) HCAR2EGLN1
SCHEMBL4422019 0.71 MEN1 (0.54) CYP11B1CYP11B2
SCHEMBL223653 0.70 CYP4F2 (0.50)
SCHEMBL4548412 0.70 HCAR2 (0.61) HCAR2EGLN1CYP2C9
SCHEMBL3139214 0.69 CYP11B1 (0.39) CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL7282073 0.69 CYP4F2 (0.49)
SCHEMBL31517395 0.68 EGLN1 (0.53) EGLN1
SCHEMBL9655979 0.68 MIF (0.44)
SCHEMBL3623888 0.68 TSHR (0.41) CYP11B1CYP11B2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120178750-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment MERCK SHARP & DOHME CORP. (US) 2012-07-12 US disclosed
US-8168649-B2 Niacin receptor agonists, compositions containing such compounds and methods of treatment Merk Sharp & Dohme Corp. (US) 2012-05-01 US disclosed
US-20100144778-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment MERCK SHARP & DOHME LLC 2010-06-10 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100144778-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment HCAR1, HCAR2, GPR119 HCAR2 2/4885EGLN1 3558/4885CYP11B1 417/4885
US-20120178750-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment HCAR1, HCAR2, FFAR1 HCAR2 2/4885EGLN1 3674/4885CYP11B1 521/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.